(2-butan-2-ylphenyl) 3-cyanobenzoate

Systemtic Name: (2-butan-2-ylphenyl) 3-cyanobenzoate Openeye Name: (2-sec-butylphenyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (2-sec-butylphenyl) ester Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H17NO2/c1-3-13(2)16-9-4-5-10-17(16)21-18(20)15-8-6-7-14(11-15)12-19/h4-11,13H,3H2,1-2H3